MRS4183

Ligand id: 9471

Name: MRS4183  

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 10
Rotatable bonds 22
Topological polar surface area 394.54
Molecular weight 1070.22
XLogP 1.5
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 11 [PMID: 26303895]
Database Links
PubChem CID 124221652
Search Google for chemical match using the InChIKey DXQJLXWZLNCEJX-VBCGWZPHSA-N
Search Google for chemicals with the same backbone DXQJLXWZLNCEJX
Search UniChem for chemical match using the InChIKey DXQJLXWZLNCEJX-VBCGWZPHSA-N
Search UniChem for chemicals with the same backbone DXQJLXWZLNCEJX
Comments
MRS4183 is a nanomolar affinity, fluorescent probe agonist of the P2Y14 receptor [1]. The fluorophore is BODIPY (boron-dipyrromethene). A SMILES string was generated from the MOL file rendering of the structure provided with the article, as additional information [1].